Home Other Building Blocks 5-methyl-3-(pyrrolidin-3-yl)-1H-1,2,4-triazole hydrochloride

5-methyl-3-(pyrrolidin-3-yl)-1H-1,2,4-triazole hydrochloride

CAS No.:
1909337-02-5
Catalog Number:
AG01C31J
Molecular Formula:
C7H13ClN4
Molecular Weight:
188.6579
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Product Description
Catalog Number:
AG01C31J
Chemical Name:
5-methyl-3-(pyrrolidin-3-yl)-1H-1,2,4-triazole hydrochloride
CAS Number:
1909337-02-5
Molecular Formula:
C7H13ClN4
Molecular Weight:
188.6579
MDL Number:
MFCD29055193
IUPAC Name:
5-methyl-3-pyrrolidin-3-yl-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C7H12N4.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3,(H,9,10,11);1H
InChI Key:
QSYBLNSNIAPKOF-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(n1)C1CNCC1.Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.083g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
188.659g/mol
Monoisotopic Mass:
188.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties